Compound Detail
CHEMBL445313
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O=C(Nc1ccc(Br)cc1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1
Basic Information
| ChEMBL ID | CHEMBL445313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAPLOPBMXREGTJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
529.3
MW (Da)
3.64
ALogP
10
HBA
3
HBD
182.6
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA CHEMBL2093871 | Ki | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate receptor ionotropic, AMPA | Ki | = | 32.0 | nM | 7.5 | Binding affinity for ionotropic glutamate receptor AMPA using [3H]AMPA as radiol... | 14505662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505662 | 10.1016/s0960-894x(03)00740-6 | Glutamate receptor ionotropic, AMPA | 1 |
| 14505662 | 10.1016/s0960-894x(03)00740-6 | Glutamate receptors; NMDA/AMPA | 1 |
Data from ChEMBL 36 via Core Engine